CID 212898

Piperidine, 1-(1h-benzimidazol-2-ylthio)-

Structural Information

Molecular Formula

C₁₂H₁₅N₃S

SMILES

C1CCN(CC1)SC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C12H15N3S/c1-4-8-15(9-5-1)16-12-13-10-6-2-3-7-11(10)14-12/h2-3,6-7H,1,4-5,8-9H2,(H,13,14)

InChIKey

OQXJJUZITCLMST-UHFFFAOYSA-N

Compound name

2-piperidin-1-ylsulfanyl-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 233.09866 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	234.10594	149.6
[M+Na]+	256.08788	162.9
[M+NH4]+	251.13248	159.0
[M+K]+	272.06182	154.9
[M-H]-	232.09138	152.8
[M+Na-2H]-	254.07333	156.6
[M]+	233.09811	152.8
[M]-	233.09921	152.8

Literature stripe

literature stripe

Patent stripe

patents stripe